A SIMPLE METHOD OF TREATING INTEGRALS CONTAINING HYLLERAAS-ORE MOLECULAR FUNCTIONS

Authors
UNGIER W SUFFCZYNSKI M
Citation
W. Ungier et M. Suffczynski, A SIMPLE METHOD OF TREATING INTEGRALS CONTAINING HYLLERAAS-ORE MOLECULAR FUNCTIONS, International journal of quantum chemistry, 60(5), 1996, pp. 1001-1005
Citations number
11
Categorie Soggetti
Chemistry Physical
Journal title
International journal of quantum chemistry → ACNP
ISSN journal
00207608
Volume
60
Issue
5
Year of publication
1996
Pages
1001 - 1005
Database
ISI
SICI code
0020-7608(1996)60:5<1001:ASMOTI>2.0.ZU;2-0
Abstract
A simple method of calculation of the integrals of the Hylleraas-Ore w ave function, used in the description of the four-particle system anal ogous to the H-2 molecule, is presented. The integrals corresponding t o the kinetic energies of particles, to the Coulomb energy terms, and to the interparticle distances are given by the appropriate partial de rivatives of a functional depending on the wave-function parameters. ( C) 1996 John Wiley & Sons, Inc.